N,N'-bis(3-chloro-2-methylphenyl)decanediamide

C24H30Cl2N2O2 — CID 17080098

IUPACN,N'-bis(3-chloro-2-methylphenyl)decanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCCCCCCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C24H30Cl2N2O2/c1-17-19(25)11-9-13-21(17)27-23(29)15-7-5-3-4-6-8-16-24(30)28-22-14-10-12-20(26)18(22)2/h9-14H,3-8,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJVOKVNSZPAWGMP-UHFFFAOYSA-N
MW449.42 g/mol
LogP7.31
Rot. Bonds11

About N,N'-bis(3-chloro-2-methylphenyl)decanediamide

N,N'-bis(3-chloro-2-methylphenyl)decanediamide (PubChem CID 17080098) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is N,N'-bis(3-chloro-2-methylphenyl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(3-chloro-2-methylphenyl)decanediamide
PubChem CID17080098
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC NameN,N'-bis(3-chloro-2-methylphenyl)decanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCCCCCCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C24H30Cl2N2O2/c1-17-19(25)11-9-13-21(17)27-23(29)15-7-5-3-4-6-8-16-24(30)28-22-14-10-12-20(26)18(22)2/h9-14H,3-8,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJVOKVNSZPAWGMP-UHFFFAOYSA-N
XLogP7.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis(3-chloro-2-methylphenyl)decanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)decanediamide?
The IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)decanediamide (CID 17080098) is N,N'-bis(3-chloro-2-methylphenyl)decanediamide.
What is the SMILES notation for N,N'-bis(3-chloro-2-methylphenyl)decanediamide?
The canonical SMILES for N,N'-bis(3-chloro-2-methylphenyl)decanediamide is Cc1c(Cl)cccc1NC(=O)CCCCCCCCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N,N'-bis(3-chloro-2-methylphenyl)decanediamide?
The InChIKey is JVOKVNSZPAWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-17-19(25)11-9-13-21(17)27-23(29)15-7-5-3-4-6-8-16-24(30)28-22-14-10-12-20(26)18(22)2/h9-14H,3-8,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(3-chloro-2-methylphenyl)decanediamide?
N,N'-bis(3-chloro-2-methylphenyl)decanediamide has a molecular weight of 449.42 g/mol, XLogP of 7.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chloro-2-methylphenyl)decanediamide is sourced from PubChem (CID 17080098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).